3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide

C23H26ClFN6O — CID 71707100

IUPAC3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CC(Cn1cnnn1)c1ccc(Cl)cc1)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H26ClFN6O/c24-20-5-3-18(4-6-20)19(15-31-16-26-28-29-31)13-23(32)27-22-9-11-30(12-10-22)14-17-1-7-21(25)8-2-17/h1-8,16,19,22H,9-15H2,(H,27,32)
InChIKeyVMELPFDSCACIDZ-UHFFFAOYSA-N
MW456.95 g/mol
LogP3.42
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide

3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide (PubChem CID 71707100) has the molecular formula C23H26ClFN6O and a molecular weight of 456.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide
PubChem CID71707100
Molecular FormulaC23H26ClFN6O
Molecular Weight456.95 g/mol
Exact Mass456.18
IUPAC Name3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide
SMILESO=C(CC(Cn1cnnn1)c1ccc(Cl)cc1)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C23H26ClFN6O/c24-20-5-3-18(4-6-20)19(15-31-16-26-28-29-31)13-23(32)27-22-9-11-30(12-10-22)14-17-1-7-21(25)8-2-17/h1-8,16,19,22H,9-15H2,(H,27,32)
InChIKeyVMELPFDSCACIDZ-UHFFFAOYSA-N
XLogP3.42
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide
CID 71709425
(3R)-3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-pyrrol-1-ylbutanamide
CID 97263847
(3R)-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-(tetrazol-1-yl)butanamide
CID 97266708
N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-pyrrol-1-ylbutanamide
CID 71709557
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide
CID 71704289
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenoxy)acetamide
CID 8590108
2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide
CID 131930881
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
CID 55428414
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55959421

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide (CID 71707100) is 3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide is O=C(CC(Cn1cnnn1)c1ccc(Cl)cc1)NC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is VMELPFDSCACIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN6O/c24-20-5-3-18(4-6-20)19(15-31-16-26-28-29-31)13-23(32)27-22-9-11-30(12-10-22)14-17-1-7-21(25)8-2-17/h1-8,16,19,22H,9-15H2,(H,27,32).
What are the key properties of 3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide?
3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 456.95 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 71707100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).